Information card for entry 7104517

Structure parameters

• Formula: C78 H72 I19 Mo12 O2 P3 S28
• Calculated formula: C77.9992 H60 I19 Mo12 O1.9996 P3 S28
• Title of publication: A three-dimensional adamantane-like nanoscopic cage built from four iodide-bridged triangular Mo3S7 cluster units.
• Authors of publication: Falvello, Larry R; Llusar, Rosa; Triguero, Sonia; Vicent, Cristian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 23
• Pages of publication: 3440 - 3442
• a: 19.086 ± 0.004 Å
• b: 19.086 ± 0.004 Å
• c: 19.086 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6953 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 218
• Hermann-Mauguin space group symbol: P -4 3 n
• Hall space group symbol: P -4n 2 3
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No